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mpqc: mpqc (ab-initio quantum chemistry code)
mpqc:
mpqc: MPQC is the Massively Parallel Quantum Chemistry Program.
mpqc: It computes properties of atoms and molecules from first principles
mpqc: using the time independent Schrödinger equation.
mpqc: Methods supported are: HF, MP2 AND DFT for energies and gradients,
mpqc: OPT2 and ZAPT2 for energies.
mpqc:
mpqc:
mpqc:
mpqc:
